Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.41 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | CTRC | Q99895 | 2/20 | 0.37 |
| ▸ | CSNK2A1 | P68400 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | AKT1 | P31749 | 1/20 | 0.34 |
| ▸ | AKT2 | P31751 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.33 |
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.33 |
| ▸ | SQOR | Q9Y6N5 | 1/20 | 0.33 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.33 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL456350 | 0.78 | CYP2A6 (0.44) | CYP2A6ESR2CTRCCSNK2A1CYP1A2 | |
| SCHEMBL4371389 | 0.78 | ESR2 (0.41) | CYP2A6CYP2B6ESR2AKT1AKT2 | |
| SCHEMBL10468449 | 0.76 | CYP1A2 (0.47) | CYP2A6CYP1A2HSD11B1SQORALDH1A1 | |
| SCHEMBL27714313 | 0.75 | ESR2 (0.47) | CYP2A6CYP2B6ESR2AKT1AKT2 | |
| SCHEMBL7814278 | 0.75 | CYP2A6 (0.41) | CYP2A6ESR2CTRCCSNK2A1CYP1A2 | |
| SCHEMBL456995 | 0.75 | ALDH1A1 (0.41) | CYP2A6CYP2B6ESR2AKT1AKT2 | |
| SCHEMBL454901 | 0.75 | ALDH1A1 (0.41) | CYP2A6ESR2CTRCCSNK2A1CYP1A2 | |
| SCHEMBL457904 | 0.75 | CYP2A6 (0.41) | CYP2A6ESR2CTRCCSNK2A1CYP1A2 | |
| SCHEMBL456233 | 0.75 | ESR2 (0.38) | CYP2A6CYP2B6ESR2AKT1AKT2 | |
| SCHEMBL457574 | 0.75 | SQOR (0.38) | CYP2A6CTRCCSNK2A1NPSR1BACE1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1503997-A1 | CYSTEINE PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2005-02-09 | — | — | EP | claimed |
| WO-2003097617-A1 | CYSTEINE PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2003-11-27 | — | — | WO | claimed |